2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

C24H25IN2O3 — CID 126257833

IUPAC2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(CNc2cccc(C)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H25IN2O3/c1-16-6-4-8-19(10-16)26-14-18-12-21(25)24(22(13-18)29-3)30-15-23(28)27-20-9-5-7-17(2)11-20/h4-13,26H,14-15H2,1-3H3,(H,27,28)
InChIKeyQBRGCCIKZQNRGB-UHFFFAOYSA-N
MW516.38 g/mol
LogP5.55
Rot. Bonds8

About 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126257833) has the molecular formula C24H25IN2O3 and a molecular weight of 516.38 g/mol. Its IUPAC name is 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126257833
Molecular FormulaC24H25IN2O3
Molecular Weight516.38 g/mol
Exact Mass516.09
IUPAC Name2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(CNc2cccc(C)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H25IN2O3/c1-16-6-4-8-19(10-16)26-14-18-12-21(25)24(22(13-18)29-3)30-15-23(28)27-20-9-5-7-17(2)11-20/h4-13,26H,14-15H2,1-3H3,(H,27,28)
InChIKeyQBRGCCIKZQNRGB-UHFFFAOYSA-N
XLogP5.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.38
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-iodo-6-methoxy-4-[(2-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126267141
N-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-3-methylaniline
CID 126117400
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126258088
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
2-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-2-iodo-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126274817
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126256661
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539260
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523
2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 137074258
2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126107609
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800

Frequently Asked Questions

What is the IUPAC name of 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126257833) is 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is COc1cc(CNc2cccc(C)c2)cc(I)c1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is QBRGCCIKZQNRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25IN2O3/c1-16-6-4-8-19(10-16)26-14-18-12-21(25)24(22(13-18)29-3)30-15-23(28)27-20-9-5-7-17(2)11-20/h4-13,26H,14-15H2,1-3H3,(H,27,28).
What are the key properties of 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 516.38 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126257833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).